1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene

C18H16Cl2FNO3 — CID 118455938

IUPAC1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC2(c3ccc(Cl)cc3Cl)CCCCC2)c(F)c1
InChIInChI=1S/C18H16Cl2FNO3/c19-12-4-6-14(15(20)10-12)18(8-2-1-3-9-18)25-17-7-5-13(22(23)24)11-16(17)21/h4-7,10-11H,1-3,8-9H2
InChIKeySVQCPEGPBMLQAW-UHFFFAOYSA-N
MW384.23 g/mol
LogP6.28
Rot. Bonds4

About 1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene

1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene (PubChem CID 118455938) has the molecular formula C18H16Cl2FNO3 and a molecular weight of 384.23 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene
PubChem CID118455938
Molecular FormulaC18H16Cl2FNO3
Molecular Weight384.23 g/mol
Exact Mass383.05
IUPAC Name1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC2(c3ccc(Cl)cc3Cl)CCCCC2)c(F)c1
InChIInChI=1S/C18H16Cl2FNO3/c19-12-4-6-14(15(20)10-12)18(8-2-1-3-9-18)25-17-7-5-13(22(23)24)11-16(17)21/h4-7,10-11H,1-3,8-9H2
InChIKeySVQCPEGPBMLQAW-UHFFFAOYSA-N
XLogP6.28
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.23
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene (CID 118455938) is 1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene is O=[N+]([O-])c1ccc(OC2(c3ccc(Cl)cc3Cl)CCCCC2)c(F)c1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene?
The InChIKey is SVQCPEGPBMLQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO3/c19-12-4-6-14(15(20)10-12)18(8-2-1-3-9-18)25-17-7-5-13(22(23)24)11-16(17)21/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene?
1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene has a molecular weight of 384.23 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)cyclohexyl]oxy-2-fluoro-4-nitrobenzene is sourced from PubChem (CID 118455938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).